2-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H16N4O4S2/c25-16(24-10-9-12-5-1-4-8-15(12)24)11-29-20-23-22-19(30-20)21-17(26)13-6-2-3-7-14(13)18(27)28/h1-8H,9-11H2,(H,27,28)(H,21,22,26)